MMsINC Database Search


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MMsINC code: MMs00586344

Type: Neutral
Formula: C₁₈H₁₄N₂O

SMILES:

O(Cc1[nH]c2c(n1)cccc2)c1c2c(ccc1)cccc2

InChI:

InChI=1/C18H14N2O/c1-2-8-14-13(6-1)7-5-11-17(14)21-12-18-19-15-9-3-4-10-16(15)20-18/h1-11H,12H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.9018 kcal/mol

Physical Properties
Molecular Weight: 274.323 g/mol	logS: -5.33256	SlogP: 4.5615	Reactive groups: 0

Topological Properties
Globularity: 0.00274688	Sterimol/B1: 2.37465	Sterimol/B2: 2.37545	Sterimol/B3: 2.89982
Sterimol/B4: 7.14714	Sterimol/L: 16.4957

Surface and Volume Properties
Accessible surface: 518.524	Positive charged surface: 282.461	Negative charged surface: 224.991	Volume: 273.5
Hydrophobic surface: 472.323	Hydrophilic surface: 46.201

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.